Catechol Benchmark

The Catechol Benchmark is a high-throughput transient flow chemistry dataset containing 1,227 experimental yield measurements for the rearrangement of allyl-substituted catechol in 24 pure solvents and their binary mixtures, used to evaluate machine learning models' ability to predict reaction outcomes across varying s

Papers using Catechol Benchmark (2)

Learning Continuous Solvent Effects from Transient Flow Data: A Graph Neural Network Benchmark on Catechol Rearrangement2025The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning2025